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1 . Academic Journal
Density functional theory calculations of iron - vanadium carbide interfaces and the effect of hydrogen
저자
by
Echeverri Restrepo, Sebastián
;
Di Stefano, Davide
;
Mrovec, Matous
;
Paxton, Anthony T.
.
소스
In
International Journal of Hydrogen Energy
13 January 2020 45(3):2382-2389
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6 . Academic Journal
Superionic Diffusion through Frustrated Energy Landscape
저자
by
Di Stefano, Davide
;
Miglio, Anna
;
Robeyns, Koen
;
Filinchuk, Yaroslav
;
Lechartier, Marine
, et al.
소스
In
Chem
12 September 2019 5(9):2450-2460
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7 . Report
OPTIMADE, an API for exchanging materials data
저자
by
Andersen, Casper W.
;
Armiento, Rickard
;
Blokhin, Evgeny
;
Conduit, Gareth J.
;
Dwaraknath, Shyam
, et al.
소스
Sci Data 8, 217 (2021)
Open Access (Arxiv)
Find it @ DONGA
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7 . Academic Journal
Li diffusion in Si and LiSi: Nuclear quantum effects and anharmonicity.
저자
by
Kumar, Vishank
;
Di Stefano, Davide
;
Rignanese, Gian-Marco
;
Gonze, Xavier
.
소스
Journal of Chemical Physics
. 6/28/2020, Vol. 152 Issue 24, p1-19. 19p. 1 Chart, 28 Graphs.
Full Text (AIP)
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6 . Academic Journal
The Limited Predictive Power of the Pauling Rules.
저자
by
George, Janine
;
Waroquiers, David
;
Di Stefano, Davide
;
Petretto, Guido
;
Rignanese, Gian‐Marco
, et al.
소스
Angewandte Chemie
. 5/4/2020, Vol. 132 Issue 19, p7639-7645. 7p.
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7 . Academic Journal
First-principles investigation of quantum mechanical effects on the diffusion of hydrogen in iron and nickel.
저자
by
Di Stefano, Davide
;
Mrovec, Matous
;
Elsässer, Christian
.
소스
Physical Review B: Condensed Matter & Materials Physics
. Dec2015, Vol. 92 Issue 22, p224301-1-224301-8. 8p.
Scopus
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5 . Academic Journal
First-principles investigation of hydrogen trapping and diffusion at grain boundaries in nickel.
저자
by
Di Stefano, Davide
;
Mrovec, Matous
;
Elsässer, Christian
.
소스
Acta Materialia
. Oct2015, Vol. 98, p306-312. 7p.
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5 . Academic Journal
Density functional theory calculations of iron - vanadium carbide interfaces and the effect of hydrogen
저자
by
Restrepo, Sebastian Echeverri
;
Di Stefano, Davide
;
Mrovec, Matous
;
Paxton, Anthony T.
.
소스
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
; JAN 13 2020, 45 3, p2382-p2389, 8p.
Full Text (ScienceDirect)
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6 .
Ab initio study of lithium dynamics in silicon-based materials for battery applications
저자
by
Kumar, Vishank
;
UCL - SST/IMCN/MODL - Modelling
;
UCL - Ecole Polytechnique de Louvain
;
Gonze, Xavier
;
Nysten, Bernard
, et al.
소스
Open Access (OpenAIRE)
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7 .
METHOD FOR PRODUCING A SOLID ELECTROLYTE MATERIAL AND A SOLID ELECTROLYTE FOR SOLID STATE BATTERIES
저자
by
Katoh, Yuki
;
Hautier, Geoffroy
;
Di Stefano, Davide
;
Filinchuk, Yaroslav
;
UCL - SST/IMCN/MOST - Molecular Chemistry, Materials and Catalysis
.
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